methyl 2,2-difluoro-2-(3-phenoxyphenyl)acetate

C15H12F2O3 — CID 149187727

IUPACmethyl 2,2-difluoro-2-(3-phenoxyphenyl)acetate
SMILESCOC(=O)C(F)(F)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H12F2O3/c1-19-14(18)15(16,17)11-6-5-9-13(10-11)20-12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyXCEUDCAMYBCHCA-UHFFFAOYSA-N
MW278.25 g/mol
LogP3.74
Rot. Bonds4

About methyl 2,2-difluoro-2-(3-phenoxyphenyl)acetate

methyl 2,2-difluoro-2-(3-phenoxyphenyl)acetate (PubChem CID 149187727) has the molecular formula C15H12F2O3 and a molecular weight of 278.25 g/mol. Its IUPAC name is methyl 2,2-difluoro-2-(3-phenoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2,2-difluoro-2-(3-phenoxyphenyl)acetate
PubChem CID149187727
Molecular FormulaC15H12F2O3
Molecular Weight278.25 g/mol
Exact Mass278.08
IUPAC Namemethyl 2,2-difluoro-2-(3-phenoxyphenyl)acetate
SMILESCOC(=O)C(F)(F)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H12F2O3/c1-19-14(18)15(16,17)11-6-5-9-13(10-11)20-12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyXCEUDCAMYBCHCA-UHFFFAOYSA-N
XLogP3.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methylcyclopropane;methyl 2,2-difluoro-2-[3-(trifluoromethyl)phenyl]acetate
CID 176659778
2,2-difluoro-2-(3-phenoxyphenyl)acetaldehyde
CID 153445299
methyl 2-fluoro-2,2-diphenylacetate
CID 13222568
2,2-difluoro-2-(3-methoxyphenyl)acetyl iodide
CID 175177821
2-methylsulfanyl-2-(3-phenoxyphenyl)propanoic acid
CID 12917672
methyl 2-[2-[3-[3-(trifluoromethyl)phenoxy]phenoxy]phenyl]acetate
CID 151514749
2,2-difluoro-2-[3-(trifluoromethoxy)phenyl]acetic acid
CID 62916357
1,1-dimethyl-3-[3-[3-(trifluoromethyl)phenoxy]phenyl]urea
CID 70613271
(2R)-3-methoxy-2-(3-methoxyphenyl)-2-methyl-3-oxopropanoic acid
CID 11085823
methyl 3,3,3-trifluoro-2-hydroxy-2-phenylpropanoate
CID 3841925
N-(2-benzamidoethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide
CID 38231454
methyl 2-(3-chlorophenyl)-2-fluoro-2-phenylacetate
CID 165389116

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-difluoro-2-(3-phenoxyphenyl)acetate?
The IUPAC name of methyl 2,2-difluoro-2-(3-phenoxyphenyl)acetate (CID 149187727) is methyl 2,2-difluoro-2-(3-phenoxyphenyl)acetate.
What is the SMILES notation for methyl 2,2-difluoro-2-(3-phenoxyphenyl)acetate?
The canonical SMILES for methyl 2,2-difluoro-2-(3-phenoxyphenyl)acetate is COC(=O)C(F)(F)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of methyl 2,2-difluoro-2-(3-phenoxyphenyl)acetate?
The InChIKey is XCEUDCAMYBCHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O3/c1-19-14(18)15(16,17)11-6-5-9-13(10-11)20-12-7-3-2-4-8-12/h2-10H,1H3.
What are the key properties of methyl 2,2-difluoro-2-(3-phenoxyphenyl)acetate?
methyl 2,2-difluoro-2-(3-phenoxyphenyl)acetate has a molecular weight of 278.25 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-difluoro-2-(3-phenoxyphenyl)acetate is sourced from PubChem (CID 149187727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).